./iterations/neb0_image08_iter121_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.375053615724E+03 0.37505E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.331317920388E+01 -0.37174E+03 -0.35886E+03 869 0.196E+02
DAV: 3 -0.967399610771E+02 -0.10005E+03 -0.99714E+02 677 0.117E+02
DAV: 4 -0.101148832002E+03 -0.44089E+01 -0.43983E+01 704 0.278E+01
DAV: 5 -0.101236176225E+03 -0.87344E-01 -0.87310E-01 736 0.352E+00 0.227E+01
DAV: 6 -0.926109704221E+02 0.86252E+01 -0.30833E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917526113878E+02 0.85836E+00 -0.17070E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913759943016E+02 0.37662E+00 -0.55207E-01 704 0.401E+00 0.163E+00
DAV: 9 -0.912934404308E+02 0.82554E-01 -0.13074E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.912845424500E+02 0.88980E-02 -0.46308E-02 760 0.112E+00 0.305E-01
DAV: 11 -0.912892320907E+02 -0.46896E-02 -0.13595E-02 616 0.605E-01 0.150E-01
DAV: 12 -0.912921137315E+02 -0.28816E-02 -0.29289E-03 614 0.252E-01 0.115E-01
DAV: 13 -0.912956285179E+02 -0.35148E-02 -0.13956E-03 687 0.205E-01 0.468E-02
DAV: 14 -0.912989788816E+02 -0.33504E-02 -0.73400E-04 656 0.155E-01 0.375E-02
DAV: 15 -0.913004751617E+02 -0.14963E-02 -0.20457E-04 672 0.932E-02 0.421E-02
DAV: 16 -0.913018013622E+02 -0.13262E-02 -0.41645E-04 650 0.105E-01 0.208E-02
DAV: 17 -0.913021909795E+02 -0.38962E-03 -0.84947E-05 736 0.667E-02 0.141E-02
DAV: 18 -0.913024598613E+02 -0.26888E-03 -0.43522E-05 634 0.294E-02 0.121E-02
DAV: 19 -0.913025555692E+02 -0.95708E-04 -0.12521E-05 464 0.177E-02 0.563E-03
DAV: 20 -0.913025874185E+02 -0.31849E-04 -0.76022E-06 464 0.186E-02 0.149E-03
DAV: 21 -0.913026117572E+02 -0.24339E-04 -0.61712E-06 412 0.125E-02 0.322E-03
DAV: 22 -0.913026154686E+02 -0.37114E-05 -0.94554E-07 504 0.495E-03
1 F= -.91302615E+02 E0= -.91307773E+02 d E =0.154740E-01